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Hydrochloric Acid → HCID 178516800、化合物

HRID 1184004
ノート
印刷プレビュー

反応式

HRID 1184004 の反応式
C([O:4][C:5]1[CH:9]=[N:8][N:7]([C:10]2[CH:15]=[CH:14][C:13]([Br:16])=[CH:12][CH:11]=2)[N:6]=1)(=O)C.CO.[OH-].[Li+].Cl>O1CCOCC1.O>[Br:16][C:13]1[CH:12]=[CH:11][C:10]([N:7]2[N:6]=[C:5]([OH:4])[CH:9]=[N:8]2)=[CH:15][CH:14]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 3939Lithium HydroxideHCID 672483222-(4-bromophenyl)-2H-1,2,3-triazol-4-yl acetate

生成物 1

HCID 178516800HCID 178516800、化合物

試薬・触媒・溶媒 2

HCID 962Water溶媒
HCID 31275
1,4-Dioxane
溶媒

実験手順

2-(4-bromophenyl)-2H-1,2,3-triazol-4-yl acetate (520 mg, 1.84 mmol) was treated with methanol (10 ml) and water (10 ml) followed by 1,4-dioxane (5 ml). The resulting solution was treated with lithium hydroxide (265 mg, 11.1 mmol). The reaction mixture was stirred at RT for 36 hours. 1N HCl (40 ml) was added to the reaction mixture and the product was extracted with ethyl acetate (3×100 ml). The combined organic phases were dried over potassium carbonate, filtered, and concentrated. The crude material was purified by chromatography on silica gel (4:1 heptane:EtOAc 1:4 heptane:EtOAc) to furnish a light tan solid (440 mg, 98% TY). MS (LC/MS) m/z 240.21 (M+1). 1H NMR (400 MHz, CHLOROFORM-d) δ ppm 7.33 (s, 1H) 7.58 (d, J=8.98 Hz, 2H) 7.78 (d, J=8.98 Hz, 2H).

後処理

  1. extractionthe product was extracted with ethyl acetate (3×100 ml)
  2. dry with materialThe combined organic phases were dried over potassium carbonate
  3. filtrationfiltered
  4. concentrationconcentrated
  5. customThe crude material was purified by chromatography on silica gel (4:1 heptane:EtOAc 1:4 heptane:EtOAc)
  6. customto furnish a light tan solid (440 mg, 98% TY)

出典と根拠

ORDレコード
ord-180b7eb84bfb49929f5f38950838114f
出典データセット
uspto-grants-2014_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08664401B2

反応ノート

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